| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:17:04 UTC |
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| Update Date | 2025-03-21 18:34:56 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00103145 |
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| Frequency | 26.4 |
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| Structure | |
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| Chemical Formula | C8H11N3O2S |
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| Molecular Mass | 213.0572 |
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| SMILES | Cc1ncc(CSCC(=O)O)c(N)n1 |
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| InChI Key | YABXVJPOKWEDNG-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | diazines |
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| Subclass | pyrimidines and pyrimidine derivatives |
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| Direct Parent | pyrimidines and pyrimidine derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | amino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsdialkylthioethersheteroaromatic compoundshydrocarbon derivativesimidolactamsmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsprimary aminessulfenyl compounds |
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| Substituents | carbonyl groupcarboxylic acidaromatic heteromonocyclic compoundamino acid or derivativesamino acidorganosulfur compoundcarboxylic acid derivativepyrimidineorganic oxideorganonitrogen compoundorganopnictogen compoundimidolactamsulfenyl compoundazacycledialkylthioetherheteroaromatic compoundmonocarboxylic acid or derivativesorganic oxygen compoundthioetherhydrocarbon derivativeprimary amineorganic nitrogen compoundamineorganooxygen compound |
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